SitesBLAST
Comparing 353862 FitnessBrowser__Btheta:353862 to proteins with known functional sites using BLASTp with E ≤ 0.001.
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Found 20 (the maximum) hits to proteins with known functional sites (download)
3d8xA Crystal structure of saccharomyces cerevisiae ndpph dependent thioredoxin reductase 1 (see paper)
49% identity, 97% coverage: 8:312/316 of query aligns to 4:316/318 of 3d8xA
- active site: C141 (= C137), C144 (= C140), D145 (= D141)
- binding flavin-adenine dinucleotide: I8 (= I12), S10 (= S14), G11 (= G15), P12 (= P16), A13 (= A17), Y31 (= Y35), G33 (= G37), A36 (≠ P40), I39 (vs. gap), G43 (= G42), Q44 (= Q43), I51 (≠ V50), N53 (= N52), T85 (≠ I84), V86 (≠ A85), T118 (= T114), G119 (= G115), C144 (= C140), G286 (= G282), D287 (= D283), R294 (= R290), Q295 (= Q291), A296 (= A292), S299 (≠ A295)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: M125 (≠ L121), G160 (= G154), S164 (≠ T158), R184 (= R178), K185 (= K179), R189 (= R183), I247 (= I243)
P29509 Thioredoxin reductase 1; TR; TrxR; Thioredoxin peroxidase 1; TPx; Thioredoxin-dependent peroxide reductase 1; EC 1.8.1.9 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see 3 papers)
49% identity, 97% coverage: 8:312/316 of query aligns to 5:317/319 of P29509
- SGPA 11:14 (= SGPA 14:17) binding
- IA 40:41 (vs. gap) binding
- Q45 (= Q43) binding
- N54 (= N52) binding
- V87 (≠ A85) binding
- C142 (= C137) modified: Disulfide link with 145, Redox-active
- C145 (= C140) binding ; modified: Disulfide link with 142, Redox-active
- D288 (= D283) binding
- RQA 295:297 (= RQA 290:292) binding
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
3itjB Crystal structure of saccharomyces cerevisiae thioredoxin reductase 1 (trr1) (see paper)
49% identity, 97% coverage: 8:312/316 of query aligns to 5:317/319 of 3itjB
- active site: C142 (= C137), C145 (= C140), D146 (= D141)
- binding flavin-adenine dinucleotide: I9 (= I12), G10 (= G13), S11 (= S14), G12 (= G15), P13 (= P16), A14 (= A17), Y32 (= Y35), E33 (= E36), G34 (= G37), A37 (≠ P40), I40 (vs. gap), A41 (vs. gap), G44 (= G42), Q45 (= Q43), T49 (= T47), I52 (≠ V50), N54 (= N52), T86 (≠ I84), V87 (≠ A85), T119 (= T114), G120 (= G115), W135 (≠ A130), C145 (= C140), G287 (= G282), D288 (= D283), R295 (= R290), Q296 (= Q291), A297 (= A292), S300 (≠ A295)
5u63B Crystal structure of putative thioredoxin reductase from haemophilus influenzae
50% identity, 99% coverage: 1:313/316 of query aligns to 4:319/319 of 5u63B
- active site: C139 (= C137), C142 (= C140), D143 (= D141)
- binding flavin-adenine dinucleotide: G16 (= G13), S17 (= S14), G18 (= G15), P19 (= P16), A20 (= A17), T39 (≠ E36), G40 (= G37), Q42 (= Q39), G45 (= G42), Q46 (= Q43), L47 (= L44), T50 (= T47), N55 (= N52), H87 (≠ I84), I88 (≠ A85), A115 (≠ S113), T116 (= T114), G117 (= G115), H248 (= H245), G288 (= G282), D289 (= D283), R296 (= R290), Q297 (= Q291), A298 (= A292), S301 (≠ A295)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: R121 (≠ K119), G157 (= G155), H179 (≠ V177), R180 (= R178), R181 (≠ K179), I246 (= I243), G247 (= G244), H248 (= H245), R296 (= R290)
5vt3B High resolution structure of thioredoxin-disulfide reductase from vibrio vulnificus cmcp6 in complex with NADP and fad
50% identity, 99% coverage: 1:312/316 of query aligns to 3:317/319 of 5vt3B
- active site: C138 (= C137), C141 (= C140), D142 (= D141)
- binding flavin-adenine dinucleotide: G15 (= G13), S16 (= S14), G17 (= G15), P18 (= P16), A19 (= A17), T38 (≠ E36), G39 (= G37), Q41 (= Q39), G44 (= G42), Q45 (= Q43), L46 (= L44), T49 (= T47), N54 (= N52), H86 (≠ I84), I87 (≠ A85), S114 (= S113), T115 (= T114), G116 (= G115), E162 (= E161), H247 (= H245), G287 (= G282), D288 (= D283), R295 (= R290), Q296 (= Q291), A297 (= A292), S300 (≠ A295)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: L122 (= L121), G156 (= G155), G157 (= G156), N158 (≠ D157), T159 (= T158), H178 (≠ V177), R179 (= R178), R180 (≠ K179), R184 (= R183), I245 (= I243), G246 (= G244), R295 (= R290), Q296 (= Q291)
P9WHH1 Thioredoxin reductase; TR; TRXR; EC 1.8.1.9 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
49% identity, 96% coverage: 9:311/316 of query aligns to 17:316/335 of P9WHH1
- SGPA 22:25 (= SGPA 14:17) binding
- Y32 (= Y24) modified: Phosphotyrosine; by PtkA; mutation to A: Significantly reduces phosphorylation.
- 44:51 (vs. 36:43, 50% identical) binding
- N60 (= N52) binding
- V93 (≠ A85) binding
- C145 (= C137) modified: Disulfide link with 148, Redox-active
- C148 (= C140) modified: Disulfide link with 145, Redox-active
- S166 (≠ T158) binding
- H185 (≠ V177) binding
- R191 (= R183) binding
- I248 (= I243) binding
- Y268 (= Y263) binding
- D288 (= D283) binding
- R295 (= R290) binding
- RQAV 295:298 (≠ RQAI 290:293) binding
2a87A Crystal structure of m. Tuberculosis thioredoxin reductase (see paper)
49% identity, 96% coverage: 9:311/316 of query aligns to 8:307/313 of 2a87A
- active site: F39 (≠ P40), L43 (= L44), D48 (= D49), C136 (= C137), C139 (= C140), D140 (= D141)
- binding flavin-adenine dinucleotide: G12 (= G13), S13 (= S14), G14 (= G15), P15 (= P16), A16 (= A17), F34 (≠ Y35), E35 (= E36), G36 (= G37), G40 (= G41), G41 (= G42), A42 (≠ Q43), L43 (= L44), T46 (= T47), V49 (= V50), N51 (= N52), D83 (≠ I84), V84 (≠ A85), M113 (≠ T114), C139 (= C140), G278 (= G282), D279 (= D283), R286 (= R290), Q287 (= Q291), A288 (= A292), V289 (≠ I293)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: L120 (= L121), G155 (= G156), D156 (= D157), S157 (≠ T158), H176 (≠ V177), R177 (= R178), R178 (≠ K179), R182 (= R183), I239 (= I243), Y259 (= Y263), R283 (≠ P287), R286 (= R290)
P0A9P4 Thioredoxin reductase; TRXR; EC 1.8.1.9 from Escherichia coli (strain K12) (see 2 papers)
49% identity, 98% coverage: 1:310/316 of query aligns to 1:314/321 of P0A9P4
- M1 (= M1) modified: Initiator methionine, Removed
- 36:43 (vs. 36:43, 50% identical) binding
- C136 (= C137) modified: Disulfide link with 139, Redox-active
- C139 (= C140) modified: Disulfide link with 136, Redox-active
- 287:296 (vs. 283:292, 70% identical) binding
5uthA Crystal structure of thioredoxin reductase from mycobacterium smegmatis in complex with fad
49% identity, 97% coverage: 9:313/316 of query aligns to 6:306/306 of 5uthA
- active site: C133 (= C137), C136 (= C140), D137 (= D141)
- binding flavin-adenine dinucleotide: I9 (= I12), G10 (= G13), S11 (= S14), G12 (= G15), P13 (= P16), A14 (= A17), F32 (≠ Y35), E33 (= E36), G34 (= G37), Q36 (= Q39), G39 (= G42), A40 (≠ Q43), L41 (= L44), N49 (= N52), D81 (≠ I84), V82 (≠ A85), M110 (≠ T114), G111 (= G115), C136 (= C140), G275 (= G282), D276 (= D283), R283 (= R290), Q284 (= Q291), A285 (= A292), A288 (= A295)
8ccmA Crystal structure of mycobacterium smegmatis thioredoxin reductase in complex with compound 2-06
49% identity, 97% coverage: 9:313/316 of query aligns to 5:305/305 of 8ccmA
- binding flavin-adenine dinucleotide: I8 (= I12), G9 (= G13), S10 (= S14), G11 (= G15), P12 (= P16), A13 (= A17), E32 (= E36), G33 (= G37), Q35 (= Q39), G38 (= G42), A39 (≠ Q43), L40 (= L44), T43 (= T47), N48 (= N52), D80 (≠ I84), V81 (≠ A85), M109 (≠ T114), G110 (= G115), T131 (≠ A136), C135 (= C140), G274 (= G282), D275 (= D283), R282 (= R290), Q283 (= Q291), A284 (= A292), A287 (= A295)
- binding ~{N}6-(4-aminophenyl)-1,2-benzothiazole-3,6-diamine: R114 (≠ K119), H115 (≠ Y120), L116 (= L121), R173 (= R178), E200 (≠ N205), I201 (≠ V206), I235 (= I243)
8cclA Crystal structure of mycobacterium smegmatis thioredoxin reductase in complex with fragment f2x-entry a09
49% identity, 97% coverage: 9:313/316 of query aligns to 5:305/305 of 8cclA
- binding flavin-adenine dinucleotide: I8 (= I12), G9 (= G13), S10 (= S14), G11 (= G15), P12 (= P16), A13 (= A17), E32 (= E36), G33 (= G37), Q35 (= Q39), G38 (= G42), A39 (≠ Q43), L40 (= L44), T43 (= T47), N48 (= N52), D80 (≠ I84), V81 (≠ A85), M109 (≠ T114), G110 (= G115), T131 (≠ A136), C135 (= C140), G274 (= G282), D275 (= D283), R282 (= R290), Q283 (= Q291), A284 (= A292), A287 (= A295)
- binding [1,2]thiazolo[5,4-b]pyridin-3-amine: L116 (= L121), R173 (= R178), E200 (≠ N205), I201 (≠ V206)
8cckA Crystal structure of mycobacterium smegmatis thioredoxin reductase in complex with fragment f2x-entry h07
49% identity, 97% coverage: 9:313/316 of query aligns to 5:305/305 of 8cckA
- binding flavin-adenine dinucleotide: G9 (= G13), S10 (= S14), G11 (= G15), P12 (= P16), A13 (= A17), E32 (= E36), G33 (= G37), Q35 (= Q39), G38 (= G42), A39 (≠ Q43), L40 (= L44), T43 (= T47), N48 (= N52), D80 (≠ I84), V81 (≠ A85), M109 (≠ T114), G110 (= G115), T131 (≠ A136), C135 (= C140), G274 (= G282), D275 (= D283), R282 (= R290), Q283 (= Q291), A284 (= A292), A287 (= A295)
- binding ~{N}-(4-hydroxyphenyl)-2-pyrazol-1-yl-ethanamide: R114 (≠ K119), H115 (≠ Y120), L116 (= L121), V148 (= V153), R173 (= R178), E200 (≠ N205), I201 (≠ V206)
8ccjA Crystal structure of mycobacterium smegmatis thioredoxin reductase in complex with NADPH
49% identity, 97% coverage: 9:313/316 of query aligns to 5:305/305 of 8ccjA
- binding flavin-adenine dinucleotide: I8 (= I12), G9 (= G13), S10 (= S14), G11 (= G15), P12 (= P16), A13 (= A17), E32 (= E36), G33 (= G37), Q35 (= Q39), G38 (= G42), A39 (≠ Q43), L40 (= L44), T43 (= T47), N48 (= N52), D80 (≠ I84), V81 (≠ A85), M109 (≠ T114), G110 (= G115), T131 (≠ A136), C135 (= C140), G274 (= G282), D275 (= D283), R282 (= R290), Q283 (= Q291), A284 (= A292), A287 (= A295)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G150 (= G155), G151 (= G156), D152 (= D157), S153 (≠ T158), E156 (= E161), H172 (≠ V177), R173 (= R178), R174 (≠ K179), R178 (= R183), I235 (= I243)
1f6mA Crystal structure of a complex between thioredoxin reductase, thioredoxin, and the NADP+ analog, aadp+ (see paper)
50% identity, 96% coverage: 8:310/316 of query aligns to 7:313/320 of 1f6mA
- active site: S135 (≠ C137), C138 (= C140), D139 (= D141)
- binding 3-aminopyridine-adenine dinucleotide phosphate: L119 (= L121), G153 (= G155), G154 (= G156), N155 (≠ D157), T156 (= T158), E159 (= E161), H175 (≠ V177), R176 (= R178), R177 (≠ K179), R181 (= R183), I243 (= I243), G244 (= G244), H245 (= H245), R293 (= R290), Q294 (= Q291)
- binding flavin-adenine dinucleotide: G12 (= G13), S13 (= S14), G14 (= G15), P15 (= P16), A16 (= A17), T35 (≠ E36), G36 (= G37), E38 (≠ Q39), G41 (= G42), Q42 (= Q43), L43 (= L44), T46 (= T47), V49 (= V50), N51 (= N52), H83 (≠ I84), I84 (≠ A85), A111 (≠ S113), T112 (= T114), G113 (= G115), H245 (= H245), G285 (= G282), D286 (= D283), R293 (= R290), Q294 (= Q291), A295 (= A292), S298 (≠ A295)
1tdfA Crystal structure of escherichia coli thioredoxin reductase refined at 2 angstrom resolution: implications for a large conformational change during catalysis (see paper)
50% identity, 96% coverage: 8:310/316 of query aligns to 7:313/316 of 1tdfA
- active site: C135 (= C137), S138 (≠ C140), D139 (= D141)
- binding flavin-adenine dinucleotide: G12 (= G13), S13 (= S14), G14 (= G15), P15 (= P16), A16 (= A17), T35 (≠ E36), G36 (= G37), E38 (≠ Q39), G41 (= G42), Q42 (= Q43), L43 (= L44), T46 (= T47), V49 (= V50), N51 (= N52), H83 (≠ I84), I84 (≠ A85), A111 (≠ S113), T112 (= T114), S138 (≠ C140), G285 (= G282), D286 (= D283), R293 (= R290), Q294 (= Q291), A295 (= A292), S298 (≠ A295)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: L119 (= L121), I151 (≠ V153), T156 (= T158), E159 (= E161), H175 (≠ V177), R176 (= R178), R181 (= R183), E183 (≠ S185), I243 (= I243), G244 (= G244), H290 (≠ P287), R293 (= R290)
7p9eB Chlamydomonas reinhardtii NADPH dependent thioredoxin reductase 1 domain cs mutant (see paper)
49% identity, 98% coverage: 8:316/316 of query aligns to 3:310/316 of 7p9eB
- binding flavin-adenine dinucleotide: G8 (= G13), S9 (= S14), G10 (= G15), P11 (= P16), A12 (= A17), E31 (= E36), G32 (= G37), N35 (≠ P40), G36 (= G41), G39 (= G42), Q40 (= Q43), L41 (= L44), T44 (= T47), N49 (= N52), D81 (≠ I84), V82 (≠ A85), A109 (≠ S113), T110 (= T114), W126 (≠ A130), S136 (≠ C140), G276 (= G282), D277 (= D283), R284 (= R290), Q285 (= Q291), A286 (= A292), A289 (= A295)
Q70G58 Thioredoxin reductase NTRC; NADPH-dependent thioredoxin reductase C; OsNTRC; EC 1.8.1.9 from Oryza sativa subsp. japonica (Rice) (see 2 papers)
48% identity, 97% coverage: 10:316/316 of query aligns to 73:383/515 of Q70G58
- C203 (= C137) mutation to S: Loss of thioredoxin reductase activity.
- C206 (= C140) mutation to S: Loss of thioredoxin reductase activity.
- A227 (= A159) mutation to G: Reduces activity 30-fold; when associated with E-245 and F-246.
- V245 (= V177) mutation to E: Reduces activity 30-fold; when associated with G-227 and F-246.
- R246 (= R178) mutation to F: Reduces activity 30-fold; when associated with G-227 and E-245.
Sites not aligning to the query:
- 440 C→S: Loss of thioredoxin activity.
- 443 C→S: Loss of thioredoxin activity.
5w4cA Crystal structure of thioredoxin reductase from cryptococcus neoformans in complex with fad (fo conformation)
49% identity, 96% coverage: 8:311/316 of query aligns to 19:331/356 of 5w4cA
- binding calcium ion: E99 (≠ G83), E116 (vs. gap), E118 (≠ T98)
- binding flavin-adenine dinucleotide: I23 (= I12), G24 (= G13), S25 (= S14), P27 (= P16), G28 (≠ A17), Y46 (= Y35), G48 (= G37), A51 (vs. gap), F54 (vs. gap), G58 (= G42), Q59 (= Q43), L60 (= L44), T63 (= T47), N68 (= N52), V101 (≠ A85), T134 (= T114), G135 (= G115), G302 (= G282), D303 (= D283), R310 (= R290), Q311 (= Q291), A312 (= A292), S315 (≠ A295)
Sites not aligning to the query:
Q92375 Thioredoxin reductase; Caffeine resistance protein 4; EC 1.8.1.9 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
48% identity, 96% coverage: 8:310/316 of query aligns to 5:315/322 of Q92375
- S192 (= S185) modified: Phosphoserine
- T278 (= T273) modified: Phosphothreonine
- S279 (≠ K274) modified: Phosphoserine
4jnqA Crystal structure of a thioredoxin reductase from brucella melitensis
49% identity, 96% coverage: 10:313/316 of query aligns to 10:314/315 of 4jnqA
- active site: C137 (= C137), C140 (= C140), D141 (= D141)
- binding dihydroflavine-adenine dinucleotide: I12 (= I12), G13 (= G13), S14 (= S14), G15 (= G15), P16 (= P16), A17 (= A17), A36 (≠ E36), G37 (= G37), Q39 (= Q39), G42 (= G42), Q43 (= Q43), L44 (= L44), N52 (= N52), I85 (≠ A85), A113 (≠ S113), T114 (= T114), C140 (= C140), G283 (= G282), D284 (= D283), R291 (= R290), Q292 (= Q291), A293 (= A292)
Query Sequence
>353862 FitnessBrowser__Btheta:353862
MAEIEKVKCLIIGSGPAGYTAAIYAGRANLCPVLYEGLQPGGQLTTTTDVENFPGYPEGI
SGPQLMEDLRAQASRFGTDVRFGIATAADLSKAPYQITIDGDKVIETEALIISTGATAKY
LGLEDEKKYAGMGVSACATCDGFFYRKKVVAVVGGGDTACEEAIYLAGLASKVYLVVRKP
YLRASKIMQERVQKHEKIEVLFEHNVVGLFGDNGVEGMNVVKRWGESDEERYSLPIDGFF
LAIGHKPNSDIFKEYIDTDEVGYIITDGDSPRTKVPGVFAAGDVADPHYRQAITAAGSGC
KAAIEAERYLSAKGII
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SitesBLAST's Database
SitesBLAST's database includes
(1) SwissProt
entries with experimentally-supported functional features;
and (2) protein structures with bound ligands, from the
BioLip database.
by Morgan Price,
Arkin group
Lawrence Berkeley National Laboratory